6-chloranyl-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClN2O4/c1-13-4-6-15(7-5-13)22-18(24)12-23(2)20(25)14-10-16(21)19-17(11-14)26-8-3-9-27-19/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,22,24)